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50 molecules are shown

Compile data set for download or QSAR
Wt: 410.3
BDBM50013714
Wt: 410.3
BDBM50013689
Wt: 428.3
BDBM50013690
Wt: 446.3
BDBM50013691
Wt: 411.3
BDBM50013692
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50013714,50013689,50013690,50013691,50013692   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50013689
PNG
(CHEMBL3264525)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccccc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O8/c23-13-8-15(24)14-10-19(30-22(28)11-4-2-1-3-5-11)21(29-18(14)9-13)12-6-16(25)20(27)17(26)7-12/h1-9,19,21,23-27H,10H2/t19-,21-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50013690
PNG
(CHEMBL3264526)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)cc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H17FO8/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,24-28H,9H2/t19-,21-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50013714
PNG
(CHEMBL3264543)
Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C22H18O8/c23-13-8-15(24)14-10-19(21(29-18(14)9-13)11-4-2-1-3-5-11)30-22(28)12-6-16(25)20(27)17(26)7-12/h1-9,19,21,23-27H,10H2/t19-,21+/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50013692
PNG
(CHEMBL3264528)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccncc3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C21H17NO8/c23-12-7-14(24)13-9-18(30-21(28)10-1-3-22-4-2-10)20(29-17(13)8-12)11-5-15(25)19(27)16(26)6-11/h1-8,18,20,23-27H,9H2/t18-,20-/m1/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50013691
PNG
(CHEMBL3264527)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3ccc(F)c(F)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H16F2O8/c23-13-2-1-9(3-14(13)24)22(30)32-19-8-12-15(26)6-11(25)7-18(12)31-21(19)10-4-16(27)20(29)17(28)5-10/h1-7,19,21,25-29H,8H2/t19-,21-/m1/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair